public void testItFindsTwoRingsInNapthaleneWhenMaxRingSizeSetToSix() {
finder.setMaximumRingSize(6);
Molecule naphthalene = Molecules.createNaphthalene();
Collection rings = finder.findRings(naphthalene);
assertEquals(2, rings.size());
}
public void testItRespectsMaxRingSize() throws Exception {
finder.setMaximumRingSize(15);
Molecule brevetoxin = MoleculeKit.readMolfile(brevetoxinMolfile);
Collection<List<Atom>> rings = finder.findRings(brevetoxin);
int maxRingSize = 0;
for (List<Atom> ring : rings) {
if (ring.size() > maxRingSize) {
maxRingSize = ring.size();
}
}
assertEquals(15, maxRingSize - 1);
}
public void testItShouldFind28RingsInCubane() {
Molecule cubane = Molecules.createCubane();
Collection rings = finder.findRings(cubane);
assertEquals(28, rings.size());
}
public void testItShouldFindThreeRingsInNaphthalene() {
Molecule naphthalene = Molecules.createNaphthalene();
Collection rings = finder.findRings(naphthalene);
assertEquals(3, rings.size());
}
public void testItShoudFindOneRingInBenzene() {
Molecule benzene = Molecules.createBenzene();
Collection<List<Atom>> rings = finder.findRings(benzene);
assertEquals(1, rings.size());
}
